CID 131302460

2-cyclopropyl-2-ethoxyethane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₇H₁₃ClO₃S

SMILES

CCOC(CS(=O)(=O)Cl)C1CC1

InChI

InChI=1S/C7H13ClO3S/c1-2-11-7(6-3-4-6)5-12(8,9)10/h6-7H,2-5H2,1H3

InChIKey

NEGTVBXNDXKLFT-UHFFFAOYSA-N

Compound name

2-cyclopropyl-2-ethoxyethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.02739 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	213.034666	138.1
[M+Na]+	235.016608	147.2
[M-H]-	211.020114	142.7
[M+NH4]+	230.061213	153.3
[M+K]+	250.990548	143.8
[M+H-H2O]+	195.024650	133.3
[M+HCOO]-	257.025591	150.8
[M+CH3COO]-	271.041241	184.9
[M+Na-2H]-	233.002056	141.3
[M]+	212.02684142	146.2
[M]-	212.02793858	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.